input word = C00059021

Metabolite InformationStructural formula
Name 3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C42H46O22
Mw 902.24807316
CAS RN 1048949-53-6
C_ID C00059021
InChIKey BXNFQJCNMOPDNI-IKRXIESDSA-N
InChICode InChI=1S/C42H46O22/c1-16-28(48)32(52)35(55)40(59-16)58-15-25-30(50)34(54)39(64-41-36(56)33(53)29(49)24(61-41)14-57-26(47)11-4-17-2-7-19(43)8-3-17)42(62-25)63-38-31(51)27-22(46)12-21(45)13-23(27)60-37(38)18-5-9-20(44)10-6-18/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+/t16-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40+,41-,42-/m0/s1
SMILES CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGinkgoaceaeGinkgo biloba Ref.
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